[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate

C23H34N2O6S — CID 42982386

IUPAC[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
SMILESCCC1CCCCN1C(=O)C(C)OC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C23H34N2O6S/c1-4-19-7-5-6-14-25(19)22(26)17(2)31-23(27)18-12-15-24(16-13-18)32(28,29)21-10-8-20(30-3)9-11-21/h8-11,17-19H,4-7,12-16H2,1-3H3
InChIKeyUKGKUXYHHOMVLQ-UHFFFAOYSA-N
MW466.60 g/mol
LogP2.82
Rot. Bonds7

About [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate

[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 42982386) has the molecular formula C23H34N2O6S and a molecular weight of 466.60 g/mol. Its IUPAC name is [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
PubChem CID42982386
Molecular FormulaC23H34N2O6S
Molecular Weight466.60 g/mol
Exact Mass466.21
IUPAC Name[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
SMILESCCC1CCCCN1C(=O)C(C)OC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C23H34N2O6S/c1-4-19-7-5-6-14-25(19)22(26)17(2)31-23(27)18-12-15-24(16-13-18)32(28,29)21-10-8-20(30-3)9-11-21/h8-11,17-19H,4-7,12-16H2,1-3H3
InChIKeyUKGKUXYHHOMVLQ-UHFFFAOYSA-N
XLogP2.82
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate with MolForge

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Related Compounds

[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 41049424
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
2-methylpropyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 24557075
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 55427969
[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 41093873
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 41049422
[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 31432669
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-4-methoxybenzenesulfonamide
CID 112995571
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 41049470
2-(4-methoxyphenyl)ethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 42979943
[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 8940223

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate (CID 42982386) is [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate is CCC1CCCCN1C(=O)C(C)OC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is UKGKUXYHHOMVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O6S/c1-4-19-7-5-6-14-25(19)22(26)17(2)31-23(27)18-12-15-24(16-13-18)32(28,29)21-10-8-20(30-3)9-11-21/h8-11,17-19H,4-7,12-16H2,1-3H3.
What are the key properties of [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate?
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 466.60 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 42982386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).